N-[(2-nitrophenyl)methyl]isoquinolin-5-amine

Systemtic Name: N-[(2-nitrophenyl)methyl]isoquinolin-5-amine Openeye Name: N-[(2-nitrophenyl)methyl]isoquinolin-5-amine CAS Name: N-[(2-nitrophenyl)methyl]-5-isoquinolinamine IUPAC Name: N-[(2-nitrophenyl)methyl]isoquinolin-5-amine Traditional Name: 5-isoquinolyl-(2-nitrobenzyl)amine Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=CC=CC3=C2C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=CC=CC3=C2C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O2/c20-19(21)16-7-2-1-4-13(16)11-18-15-6-3-5-12-10-17-9-8-14(12)15/h1-10,18H,11H2